Changeset 1682 for trunk/GSASIIstrIO.py

Timestamp:

Feb 28, 2015 9:16:41 AM (8 years ago)

Author:

vondreele

Message:

do sums of Bragg intensity, and background terms put results into .lst file

File:

• trunk/GSASIIstrIO.py (modified) (2 diffs)

trunk/GSASIIstrIO.py

@@ -2475 +2475 @@
                     print >>pFile,' Final refinement RF, RF^2 = %.2f%%, %.2f%% on %d reflections'   \
                         %(Histogram['Residuals'][pfx+'Rf'],Histogram['Residuals'][pfx+'Rf^2'],Histogram['Residuals'][pfx+'Nref'])
+                    print >>pFile,' Bragg intensity sum = %.3g'%(Histogram['Residuals'][pfx+'sumInt'])
                 
                     if pfx+'Scale' in PhFrExtPOSig:
@@ -2851 +2852 @@
                 print >>pFile,ptstr
                 print >>pFile,sigstr
+        sumBk = np.array(Histogram['sumBk'])
+        print >>pFile,' Background sums: empirical %.3g, Debye %.3g, peaks %.3g, Total %.3g'    \
+            %(sumBk[0],sumBk[1],sumBk[2],np.sum(sumBk))
         
     def PrintInstParmsSig(Inst,instSig):